Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAP3K9 | P80192 | 1/20 | 0.39 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22703046 | 0.93 | EGFR (0.44) | EGFRMAPK1CYP1A2CYP2D6KDM4E | |
| SCHEMBL20031646 | 0.93 | EGFR (0.58) | EGFRMAPK1CYP1A2CYP2D6KDM4E | |
| SCHEMBL25016883 | 0.87 | EGFR (0.42) | EGFRMAPK1NOTUMCYP26A1MIF | |
| SCHEMBL20031875 | 0.85 | EGFR (0.51) | EGFRMAPK1CYP1A2CYP2D6KDM4E | |
| SCHEMBL20031910 | 0.78 | EGFR (0.44) | EGFRMAPK1KDM4EGLAALDH1A1 | |
| SCHEMBL20031643 | 0.78 | MAPK1 (0.42) | EGFRMAPK1CYP1A2ALDH1A1MEN1 | |
| SCHEMBL20031659 | 0.74 | MIF (0.44) | EGFRMAPK1CYP1A2KDM4EALDH1A1 | |
| SCHEMBL22702989 | 0.73 | THRA (0.47) | EGFRKDM4EALDH1A1MAPTMEN1 | |
| SCHEMBL7284412 | 0.71 | BCL2 (0.49) | EGFRMAPK1CYP1A2CYP2D6KDM4E | |
| SCHEMBL22683261 | 0.71 | MEN1 (0.46) | EGFRALDH1A1MAPTMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018063105-A1 | [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2018-04-05 | — | — | WO | disclosed |